AG000SAJ

1261988-16-2 | Benzene, 5-bromo-1,2-difluoro-3-nitro-

AG000SAJ

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CAS Number	1261988-16-2
Catalog Number	AG000SAJ(AGN-PC-09PYUY)
Chemical Name	Benzene, 5-bromo-1,2-difluoro-3-nitro-
IUPAC Name	5-bromo-1,2-difluoro-3-nitrobenzene
InChI	InChI=1S/C6H2BrF2NO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H
InChI Key	OUPFVSYTAGACOT-UHFFFAOYSA-N
MDL Number	MFCD18311821
Molecular Formula	C6H2BrF2NO2
Molecular Weight	237.9864
SMILES	Brc1cc(F)c(c(c1)[N+](=O)[O-])F
Synonyms	5-BROMO-1,2-DIFLUORO-3-NITROBENZENE, 1261988-16-2, AK-91097, ACMC-209b9o, SCHEMBL16005316, CTK4B5041, KS-00000PZD, DTXSID00681474, OUPFVSYTAGACOT-UHFFFAOYSA-N, ANW-18874, MFCD18311821, ZINC65336834, 5-Bromo-2,3-difluoro-1-nitrobenzene, AKOS015834393, AS06859, CS-W006755, FCH1366826, DS-17145, SC-73584, Benzene, 5-bromo-1,2-difluoro-3-nitro-, AJ-114893, AX8229514, TR-035571, ST24023845, Z9275, A-3587, I01-10888, C6H2BrF2NO2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	237.988g/mol
Monoisotopic Mass	236.924g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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